2-ethyl-N-(4-oxocyclohexyl)butanamide

C12H21NO2 — CID 43652798

IUPAC2-ethyl-N-(4-oxocyclohexyl)butanamide
SMILESCCC(CC)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-3-9(4-2)12(15)13-10-5-7-11(14)8-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyXHVIQPUVTXSNRJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.05
Rot. Bonds4

About 2-ethyl-N-(4-oxocyclohexyl)butanamide

2-ethyl-N-(4-oxocyclohexyl)butanamide (PubChem CID 43652798) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-ethyl-N-(4-oxocyclohexyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-oxocyclohexyl)butanamide
PubChem CID43652798
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-ethyl-N-(4-oxocyclohexyl)butanamide
SMILESCCC(CC)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C12H21NO2/c1-3-9(4-2)12(15)13-10-5-7-11(14)8-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyXHVIQPUVTXSNRJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3-methylbutanamide
CID 233660
N-(4-Oxocyclohexyl)acetamide
CID 538565
3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
N-((4-oxocyclohexyl)methyl)acetamide
CID 11412613
N-[4-oxo-3-(3-oxobutanoyl)cyclohexyl]acetamide
CID 172460470
N-cyclohexylcyclopentanecarboxamide
CID 836619
Hexanamide, N-cyclohexyl
CID 280983
n-Isopropylcyclohexanecarboxamide
CID 232390
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide
CID 18071391
3-amino-N-(propan-2-yl)cyclohexane-1-carboxamide hydrochloride
CID 167733793
N-Cyclohexyl-2-propylvaleramide
CID 3032176

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-oxocyclohexyl)butanamide?
The IUPAC name of 2-ethyl-N-(4-oxocyclohexyl)butanamide (CID 43652798) is 2-ethyl-N-(4-oxocyclohexyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-oxocyclohexyl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-oxocyclohexyl)butanamide is CCC(CC)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-ethyl-N-(4-oxocyclohexyl)butanamide?
The InChIKey is XHVIQPUVTXSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-9(4-2)12(15)13-10-5-7-11(14)8-6-10/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 2-ethyl-N-(4-oxocyclohexyl)butanamide?
2-ethyl-N-(4-oxocyclohexyl)butanamide has a molecular weight of 211.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-oxocyclohexyl)butanamide is sourced from PubChem (CID 43652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).